CID 51980

Einecs 277-563-6

Structural Information

Molecular Formula
C15H14N2O
SMILES
COC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H14N2O/c1-18-14-8-4-12(5-9-14)15(10-16)11-2-6-13(17)7-3-11/h2-9,15H,17H2,1H3
InChIKey
ZBOSPCBMOVMROW-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 158.3
[M+Na]+ 261.09983 171.2
[M+NH4]+ 256.14443 163.3
[M+K]+ 277.07377 160.8
[M-H]- 237.10333 155.7
[M+Na-2H]- 259.08528 164.1
[M]+ 238.11006 158.6
[M]- 238.11116 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.